Computational Redox Biology: Methods and Applications

摘要: Cysteine (Cys) is the most important amino acid in redox biology: it premier residue used by proteins to maintain homeostasis, sense changes environment, and counteract oxidative stress. Cys often as a catalytic redox-active plays key role protein structure stabilization via disulfides metal binding. much different from other common acids proteins: its unique chemical physical properties provide high affinity for ions, support formation of covalent bonds with Cys, confer response environment. These features are largely responsible broad variety biological functions. Thus, better understanding basic essential fundamental roles biology, well prediction classification functional residues proteins. In this chapter, we an overview theoretical computational tools that have been developed area thiol regulation biology. particular, introduce discuss methods investigate such exposure pKa, algorithms types